Crystallography Open Database

Information card for entry 1568510

Preview

Coordinates	1568510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 O2 U
Calculated formula	C38 H52 O2 U
SMILES	[U]12345678(Oc9c(cc(cc9C)C)C)(Oc9c(cc(cc9C)C)C)([c]9([c]2([c]7([c]6([c]89C)C)C)C)C)[c]2([c]3([c]1([c]4([c]52C)C)C)C)C
Title of publication	Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes
Authors of publication	Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	8
Pages of publication	2024 - 2032
a	13.266 ± 0.004 Å
b	16.193 ± 0.005 Å
c	15.544 ± 0.005 Å
α	90°
β	97.637 ± 0.004°
γ	90°
Cell volume	3309.5 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281098 (current)	2023-02-23	cif/ Adding structures of 1568507, 1568508, 1568509, 1568510, 1568511, 1568512, 1568513 via cif-deposit CGI script.	1568510.cif